(4-hexadecoxy-2-nitro-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxy-2-nitro-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-nitrophenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-nitrophenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C32H46N2O7PS+ MolecularWeight: 633.755601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C32H45N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-39-27-21-22-31(29(26-27)34(35)36)41-42(37,38)40-30-20-17-16-19-28(30)32-33(2)23-25-43-32/h16-17,19-23,25-26H,3-15,18,24H2,1-2H3/p+1